SCHEMBL4430744

SCHEMBL4430744

N#Cc1ccc(N2CCC(Oc3cccc(C(=O)NC4CCN(Cc5ccncc5)C(I)C4)c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 11/20 0.46
PRKAB2 O43741 3/20 0.43
PRKAG1 P54619 3/20 0.43
PRKAA1 Q13131 3/20 0.43
PRKAG3 Q9UGI9 3/20 0.43
PRKAG2 Q9UGJ0 3/20 0.43
PRKAB1 Q9Y478 3/20 0.43
AR P10275 1/20 0.42
CYP3A4 P08684 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
KCNH2 Q12809 1/20 0.42
F10 P00742 2/20 0.41
GPR6 P46095 1/20 0.40
RAB9A P51151 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4441003 0.90 DRD4 (0.43) AROPRM1OPRK1KCNH2F10
SCHEMBL2386381 0.88 PRKAA2 (0.56) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3662808 0.84 PRKAA2 (0.46) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL16321289 0.82 PRKAA2 (0.60) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3664005 0.82 PRKAA2 (0.45) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3665131 0.82 PRKAA2 (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3799739 0.81 PRKAA2 (0.51) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3666588 0.81 SSTR5 (0.42) PRKAA2ARF10
SCHEMBL2390946 0.81 KMT2A (0.60) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3666114 0.80 PRKAA2 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079694-A1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE Rigel Pharmaceuticals, Inc. (US) 2009-07-22 EP claimed
WO-2008083124-A1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO claimed